SCHEMBL2192864

SCHEMBL2192864

O=C(O)c1ccc(NCc2cccc(-n3ccc4c(-c5ccccc5)cccc43)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.68
EHMT2 Q96KQ7 1/20 0.68
RORC P51449 2/20 0.51
HIF1A Q16665 1/20 0.46
F2 P00734 2/20 0.45
F10 P00742 2/20 0.45
PRSS1 P07477 2/20 0.45
PPARG P37231 1/20 0.45
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA1 P00915 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2196761 0.91 SETD7 (0.81) SETD7EHMT2RORCHIF1AF2
SCHEMBL2193598 0.86 SETD7 (0.61) SETD7EHMT2RORCF2F10
SCHEMBL2192171 0.85 SETD7 (0.60) SETD7EHMT2RORCFFAR1FFAR4
SCHEMBL2191641 0.83 SETD7 (0.58) SETD7EHMT2RORCPPARGPOLB
SCHEMBL2194005 0.81 SETD7 (1.00) SETD7EHMT2RORCHIF1AF2
SCHEMBL2194283 0.81 SETD7 (0.84) SETD7EHMT2RORCHIF1AF2
SCHEMBL29365843 0.81 SETD7 (1.00) SETD7EHMT2RORCHIF1AF2
SCHEMBL2192976 0.81 SETD7 (0.55) SETD7EHMT2RORCPPARGPOLB
SCHEMBL2196465 0.79 SETD7 (0.51) SETD7EHMT2RORC
SCHEMBL2192071 0.78 SETD7 (0.56) SETD7EHMT2RORCPOLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011082098-A1 LYSINE AND ARGININE METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER THE ROCKEFELLER UNIVERSITY (US) 2011-07-07 WO disclosed